LDZ/PRD_000907
N-[(BENZYLOXY)CARBONYL]-L-LEUCYL-N-[(2S)-4-METHYL-1-OXOPENTAN-2-YL]-L-LEUCINAMIDE
| Created: | 2012-02-13 |
| Last modified: | 2012-08-31 |
LDZ/PRD_000907 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3VL0.
Find related ligands: |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 75 |
| Chiral Atom Count | 3 |
| Bond Count | 75 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | N-[(BENZYLOXY)CARBONYL]-L-LEUCYL-N-[(2S)-4-METHYL-1-OXOPENTAN-2-YL]-L-LEUCINAMIDE |
| Systematic Name (OpenEye OEToolkits) | (phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate |
| Formula | C26 H41 N3 O5 |
| Molecular Weight | 475.621 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)C=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 |
| Canonical SMILES | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 |
| InChIKey | InChI | 1.03 | TZYWCYJVHRLUCT-VABKMULXSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 462382 |
| ChEMBL | CHEMBL64925 |
| ChEBI | CHEBI:75142 |
